In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 30th, 2005 | 29 | Yes |
Popular Name: C[C@H](c1nc2ccccc2n1C[C@@H](Cn3c4ccccc4c5c3cccc5)O)O C[C@H](c1nc2ccccc2n1C[C@@H](Cn3c…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.74 | -4.17 | -17.67 | 2 | 5 | 0 | 63 | 385.467 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.